Aspirin isopropylantipyrine
TL;DR: Aspirin isopropylantipyrine (CAS 74512-62-2) is a chemical compound with molecular formula C23H25N3O4 and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(2-methyl-5-oxo-1-phenyl-4-propan-2-ylpyrazol-3-yl)methylcarbamoyl]phenyl]acetic acid
Also Known As: Aspirin isopropylantipyrine, Aspirin-isopropylantipyrine, ASP-IPAP, N-3'a-Propyphenazonyl-2-acetoxybenzamide, N-(4-Propylphenazol-5-yl)-2-acetoxybenzamide
| Molecular Formula | C23H25N3O4 |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.1845 |
| Heavy Atoms | 30 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 74512-62-2 |
|---|---|
| SMILES | CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3CC(=O)O |
| InChIKey | XKKOTFPJTLHMJF-UHFFFAOYSA-N |
Product Overview
Aspirin isopropylantipyrine (CAS 74512-62-2), with molecular formula C23H25N3O4 and molecular weight 407.18 g/mol. IUPAC: 2-[2-[(2-methyl-5-oxo-1-phenyl-4-propan-2-ylpyrazol-3-yl)methylcarbamoyl]phenyl]acetic acid.
Chemical Property Profile of Aspirin isopropylantipyrine
Property Insights of Aspirin isopropylantipyrine
The XLogP value of 3.0 indicates that Aspirin isopropylantipyrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspirin isopropylantipyrine. Following Lipinski's Rule of Five, Aspirin isopropylantipyrine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aspirin isopropylantipyrine?
The CAS number of Aspirin isopropylantipyrine is 74512-62-2.
What is the molecular formula of Aspirin isopropylantipyrine?
The molecular formula of Aspirin isopropylantipyrine is C23H25N3O4.
What is the molecular weight of Aspirin isopropylantipyrine?
The molecular weight of Aspirin isopropylantipyrine is 407.18 g/mol.
Where can I buy Aspirin isopropylantipyrine?
You can request a quote for Aspirin isopropylantipyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspirin isopropylantipyrine?
Yes, KEHONG BIO provides custom synthesis services for Aspirin isopropylantipyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.